Search Results for author: Xavier Brumwell

Found 2 papers, 0 papers with code

Wavelet Scattering Networks for Atomistic Systems with Extrapolation of Material Properties

no code implementations1 Jun 2020 Paul Sinz, Michael W. Swift, Xavier Brumwell, Jialin Liu, Kwang Jin Kim, Yue Qi, Matthew Hirn

The dream of machine learning in materials science is for a model to learn the underlying physics of an atomic system, allowing it to move beyond interpolation of the training set to the prediction of properties that were not present in the original training data.

feature selection

Steerable Wavelet Scattering for 3D Atomic Systems with Application to Li-Si Energy Prediction

no code implementations21 Nov 2018 Xavier Brumwell, Paul Sinz, Kwang Jin Kim, Yue Qi, Matthew Hirn

Here this approach is extended for general steerable wavelets which are equivariant to translations and rotations, resulting in a sparse model of the target function.

Formation Energy

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